SCHEMBL7813337

SCHEMBL7813337

CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)[AsH]C(C)(C)C)cc1)c1ccc(F)c(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.58
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
KCNH2 Q12809 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7685986 0.87 F10 (0.59) F10F2PRSS1KCNH2
SCHEMBL7813338 0.75 F10 (0.42) F10F2PRSS1KCNH2
SCHEMBL7451638 0.73 F10 (0.59) F10F2PRSS1KCNH2
SCHEMBL7688216 0.73 F10 (0.59) F10F2PRSS1KCNH2
SCHEMBL7690626 0.73 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7685987 0.72 GPR55 (0.47) F10
SCHEMBL7684142 0.69 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7684143 0.69 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7688293 0.68 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7690621 0.68 F10 (1.00) F10F2PRSS1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed